6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole

C150H156N20S2+6 — CID 157216950

About 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole

6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole (PubChem CID 157216950) has the molecular formula C150H156N20S2+6 and a molecular weight of 2305.18 g/mol. Its IUPAC name is 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole
• PubChem CID: 157216950
• Molecular Formula: C150H156N20S2+6
• Molecular Weight: 2305.18 g/mol
• Exact Mass: 2303.24
• IUPAC Name: 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole
• SMILES: CC1=Cn2c(nc3cc(-c4c5scc(C(C)C)c5nc[n+]4C)c(C)cc32)C1.CC1=Cn2c(nc3cc(-c4ccc5c(CC(C)C)cccc5[n+]4C)c(C)c(C)c32)C1.Cc1c(-c2ccc3c(CC(C)C)cccc3[n+]2C)cc2nc3n(c2c1C)C=CC3.Cc1cc2c(cc1-c1c3scc(C(C)C)c3nc[n+]1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1-c1ccc3c(CC(C)C)cccc3[n+]1C)nc1n2C=CC1.[2H]C([2H])(c1cccc2c1ccc(-c1cc3nc4n(c3cc1C)C=CC4)[n+]2C)C(C)C
• InChI: InChI=1S/C27H30N3.C26H28N3.C25H23N4S.2C25H26N3.C22H23N4S/c1-16(2)12-20-8-7-9-24-21(20)10-11-25(29(24)6)22-14-23-27(19(5)18(22)4)30-15-17(3)13-26(30)28-23;1-16(2)14-19-8-6-9-23-20(19)11-12-24(28(23)5)21-15-22-26(18(4)17(21)3)29-13-7-10-25(29)27-22;1-14(2)18-12-30-25-23(18)26-13-28(4)24(25)17-11-19-21(9-15(17)3)29-20-8-6-5-7-16(20)10-22(29)27-19;2*1-16(2)13-18-7-5-8-22-19(18)10-11-23(27(22)4)20-15-21-24(14-17(20)3)28-12-6-9-25(28)26-21;1-12(2)16-10-27-22-20(16)23-11-25(5)21(22)15-8-17-18(7-14(15)4)26-9-13(3)6-19(26)24-17/h7-11,14-16H,12-13H2,1-6H3;6-9,11-13,15-16H,10,14H2,1-5H3;5-9,11-14H,10H2,1-4H3;2*5-8,10-12,14-16H,9,13H2,1-4H3;7-12H,6H2,1-5H3/q6*+1/i;;;13D2
• InChIKey: ANOMOUDMJGSLIT-PMGGKTECSA-N
• XLogP: 32.31
• TPSA: 155.98 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2305.18
LogP ≤ 5	32.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole?

The IUPAC name of 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole (CID 157216950) is 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole.

What is the SMILES notation for 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole?

The canonical SMILES for 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole is CC1=Cn2c(nc3cc(-c4c5scc(C(C)C)c5nc[n+]4C)c(C)cc32)C1.CC1=Cn2c(nc3cc(-c4ccc5c(CC(C)C)cccc5[n+]4C)c(C)c(C)c32)C1.Cc1c(-c2ccc3c(CC(C)C)cccc3[n+]2C)cc2nc3n(c2c1C)C=CC3.Cc1cc2c(cc1-c1c3scc(C(C)C)c3nc[n+]1C)nc1n2-c2ccccc2C1.Cc1cc2c(cc1-c1ccc3c(CC(C)C)cccc3[n+]1C)nc1n2C=CC1.[2H]C([2H])(c1cccc2c1ccc(-c1cc3nc4n(c3cc1C)C=CC4)[n+]2C)C(C)C.

What is the InChIKey of 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole?

The InChIKey is ANOMOUDMJGSLIT-PMGGKTECSA-N. The full InChI is InChI=1S/C27H30N3.C26H28N3.C25H23N4S.2C25H26N3.C22H23N4S/c1-16(2)12-20-8-7-9-24-21(20)10-11-25(29(24)6)22-14-23-27(19(5)18(22)4)30-15-17(3)13-26(30)28-23;1-16(2)14-19-8-6-9-23-20(19)11-12-24(28(23)5)21-15-22-26(18(4)17(21)3)29-13-7-10-25(29)27-22;1-14(2)18-12-30-25-23(18)26-13-28(4)24(25)17-11-19-21(9-15(17)3)29-20-8-6-5-7-16(20)10-22(29)27-19;2*1-16(2)13-18-7-5-8-22-19(18)10-11-23(27(22)4)20-15-21-24(14-17(20)3)28-12-6-9-25(28)26-21;1-12(2)16-10-27-22-20(16)23-11-25(5)21(22)15-8-17-18(7-14(15)4)26-9-13(3)6-19(26)24-17/h7-11,14-16H,12-13H2,1-6H3;6-9,11-13,15-16H,10,14H2,1-5H3;5-9,11-14H,10H2,1-4H3;2*5-8,10-12,14-16H,9,13H2,1-4H3;7-12H,6H2,1-5H3/q6*+1/i;;;13D2;;.

What are the key properties of 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole?

6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 2305.18 g/mol, XLogP of 32.31, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;4-(2,7-dimethyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)-3-methyl-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;3-methyl-4-(7-methyl-11H-indolo[1,2-a]benzimidazol-8-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;2,7,8-trimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 157216950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).